2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine

C62H54BrCl16I2N8O17+ — CID 167560447

IUPAC2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine
SMILESCOC(=O)Cc1c(Cl)c[n+](O)cc1Cl.COC(=O)Cc1c(Cl)cnc(Br)c1Cl.COC(=O)Cc1c(Cl)cnc(C(=O)OC)c1Cl.COC(=O)Cc1c(Cl)cnc(CO)c1Cl.COC(=O)Cc1c(Cl)cncc1Cl.Cc1c(Cl)cncc1Cl.Clc1cncc(Cl)c1.II.O=C(O)Cc1c(Cl)cnc(CO)c1Cl
InChIInChI=1S/C10H9Cl2NO4.C9H9Cl2NO3.C8H6BrCl2NO2.C8H8Cl2NO3.C8H7Cl2NO3.C8H7Cl2NO2.C6H5Cl2N.C5H3Cl2N.I2/c1-16-7(14)3-5-6(11)4-13-9(8(5)12)10(15)17-2;1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11;1-14-6(13)2-4-5(10)3-12-8(9)7(4)11;1-14-8(12)2-5-6(9)3-11(13)4-7(5)10;9-5-2-11-6(3-12)8(10)4(5)1-7(13)14;1-13-8(12)2-5-6(9)3-11-4-7(5)10;1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4;1-2/h4H,3H2,1-2H3;3,13H,2,4H2,1H3;3H,2H2,1H3;3-4,13H,2H2,1H3;2,12H,1,3H2,(H,13,14);3-4H,2H2,1H3;2-3H,1H3;1-3H;/q;;;+1;;;;;
InChIKeyDOWPBJGPEYXBNL-UHFFFAOYSA-N
MW2084.11 g/mol
LogP18.06
Rot. Bonds15

About 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine

2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine (PubChem CID 167560447) has the molecular formula C62H54BrCl16I2N8O17+ and a molecular weight of 2084.11 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine
PubChem CID167560447
Molecular FormulaC62H54BrCl16I2N8O17+
Molecular Weight2084.11 g/mol
Exact Mass2074.59
IUPAC Name2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine
SMILESCOC(=O)Cc1c(Cl)c[n+](O)cc1Cl.COC(=O)Cc1c(Cl)cnc(Br)c1Cl.COC(=O)Cc1c(Cl)cnc(C(=O)OC)c1Cl.COC(=O)Cc1c(Cl)cnc(CO)c1Cl.COC(=O)Cc1c(Cl)cncc1Cl.Cc1c(Cl)cncc1Cl.Clc1cncc(Cl)c1.II.O=C(O)Cc1c(Cl)cnc(CO)c1Cl
InChIInChI=1S/C10H9Cl2NO4.C9H9Cl2NO3.C8H6BrCl2NO2.C8H8Cl2NO3.C8H7Cl2NO3.C8H7Cl2NO2.C6H5Cl2N.C5H3Cl2N.I2/c1-16-7(14)3-5-6(11)4-13-9(8(5)12)10(15)17-2;1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11;1-14-6(13)2-4-5(10)3-12-8(9)7(4)11;1-14-8(12)2-5-6(9)3-11(13)4-7(5)10;9-5-2-11-6(3-12)8(10)4(5)1-7(13)14;1-13-8(12)2-5-6(9)3-11-4-7(5)10;1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4;1-2/h4H,3H2,1-2H3;3,13H,2,4H2,1H3;3H,2H2,1H3;3-4,13H,2H2,1H3;2,12H,1,3H2,(H,13,14);3-4H,2H2,1H3;2-3H,1H3;1-3H;/q;;;+1;;;;;
InChIKeyDOWPBJGPEYXBNL-UHFFFAOYSA-N
XLogP18.06
TPSA349.90 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.11
LogP ≤ 518.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine with MolForge

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Related Compounds

5-Bromo-3-chloropyridine-2-carboxylic acid;tert-butyl 5-bromo-3-chloropyridine-2-carboxylate;tert-butyl 3-chloro-5-isocyanopyridine-2-carboxylate;tert-butyl 3-cyclopropyl-5-isocyanopyridine-2-carboxylate;3-cyclopropyl-5-isocyanopyridine-2-carboxylic acid;methane
CID 157362250
Tert-butyl-[(6-chloro-3-methyl-2-pyridinyl)methoxy]-dimethylsilane;(6-chloro-3-methyl-2-pyridinyl)methanol;methane;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
CID 158304484
6-Chloro-3-methylpyridine-2-carboxylic acid;methyl 6-chloro-3-methylpyridine-2-carboxylate;methyl 3-methyl-1-oxidopyridin-1-ium-2-carboxylate;methyl 3-methylpyridine-2-carboxylate
CID 158357458
5-Bromo-6-methylpyridine-3-carbaldehyde;(5-bromo-6-methyl-3-pyridinyl)methanol;methyl 5-bromo-6-chloropyridine-3-carboxylate;methyl 5-bromo-6-iodopyridine-3-carboxylate;methyl 5-bromo-6-methylpyridine-3-carboxylate
CID 160435313
Methyl 5-(bromomethyl)-6-chloropyridine-2-carboxylate;methyl 6-chloro-5-(4-hydroxybutyl)pyridine-2-carboxylate;methyl 6-chloro-5-methylpyridine-2-carboxylate;methyl 1-hydroxy-5-methylpyridin-1-ium-2-carboxylate;methyl 5-methylpyridine-2-carboxylate
CID 161587884

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine?
The IUPAC name of 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine (CID 167560447) is 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine.
What is the SMILES notation for 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine?
The canonical SMILES for 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine is COC(=O)Cc1c(Cl)c[n+](O)cc1Cl.COC(=O)Cc1c(Cl)cnc(Br)c1Cl.COC(=O)Cc1c(Cl)cnc(C(=O)OC)c1Cl.COC(=O)Cc1c(Cl)cnc(CO)c1Cl.COC(=O)Cc1c(Cl)cncc1Cl.Cc1c(Cl)cncc1Cl.Clc1cncc(Cl)c1.II.O=C(O)Cc1c(Cl)cnc(CO)c1Cl.
What is the InChIKey of 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine?
The InChIKey is DOWPBJGPEYXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4.C9H9Cl2NO3.C8H6BrCl2NO2.C8H8Cl2NO3.C8H7Cl2NO3.C8H7Cl2NO2.C6H5Cl2N.C5H3Cl2N.I2/c1-16-7(14)3-5-6(11)4-13-9(8(5)12)10(15)17-2;1-15-8(14)2-5-6(10)3-12-7(4-13)9(5)11;1-14-6(13)2-4-5(10)3-12-8(9)7(4)11;1-14-8(12)2-5-6(9)3-11(13)4-7(5)10;9-5-2-11-6(3-12)8(10)4(5)1-7(13)14;1-13-8(12)2-5-6(9)3-11-4-7(5)10;1-4-5(7)2-9-3-6(4)8;6-4-1-5(7)3-8-2-4;1-2/h4H,3H2,1-2H3;3,13H,2,4H2,1H3;3H,2H2,1H3;3-4,13H,2H2,1H3;2,12H,1,3H2,(H,13,14);3-4H,2H2,1H3;2-3H,1H3;1-3H;/q;;;+1;;;;;.
What are the key properties of 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine?
2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine has a molecular weight of 2084.11 g/mol, XLogP of 18.06, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetic acid;3,5-dichloro-4-methylpyridine;3,5-dichloropyridine;methyl 2-(2-bromo-3,5-dichloro-4-pyridinyl)acetate;methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate;methyl 2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)acetate;methyl 3,5-dichloro-4-(2-methoxy-2-oxoethyl)pyridine-2-carboxylate;methyl 2-(3,5-dichloro-4-pyridinyl)acetate;molecular iodine is sourced from PubChem (CID 167560447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).